SCHEMBL7448118

SCHEMBL7448118

CC(C)(C)OC(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.53
▸ CCKBR P32239 2/20 0.52
▸ PSMB1 P20618 2/20 0.51
▸ PSMB5 P28074 2/20 0.51
▸ PSMB2 P49721 2/20 0.51
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PAX8 Q06710 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ ACE P12821 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9551311 0.86 REN (0.64) RENCCKBRACE
SCHEMBL18072620 0.86 ACE (0.56) RENCCKBRPOLBMAPTMAPK1
SCHEMBL9417371 0.85 PTPN1 (0.49) CCKBRPSMB1PSMB5PSMB2PTPN1
SCHEMBL7441309 0.85 ITGB3 (0.46) RENCCKBRPTPN1
SCHEMBL11012331 0.83 REN (0.51) RENCCKBRPSMB1PSMB5PSMB2
SCHEMBL7437431 0.82 REN (0.54) RENCCKBRPOLBMAPTTDP1
SCHEMBL30559600 0.81 CHRNB2 (0.57) PSMB1PSMB5PSMB2PTPN1
SCHEMBL24919552 0.81 NPY4R (0.57) —
SCHEMBL30548763 0.81 NPY4R (0.55) CCKBRPSMB5PTPN1
SCHEMBL7287586 0.81 REN (0.49) RENCCKBRPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS — 1991-01-02 — — EP disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 — — US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 — — US disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 — — US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 — — EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 — — WO disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 — — EP disclosed
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